(2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide

C19H24FN3O2 — CID 99826742

IUPAC(2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C19H24FN3O2/c1-23(13-17-7-4-8-25-17)12-15-6-3-2-5-14(15)10-22-19(24)18-9-16(20)11-21-18/h2-8,16,18,21H,9-13H2,1H3,(H,22,24)/t16-,18+/m0/s1
InChIKeyRUHLULNUBGJBEG-FUHWJXTLSA-N
MW345.42 g/mol
LogP2.23
Rot. Bonds7

About (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide

(2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 99826742) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID99826742
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C19H24FN3O2/c1-23(13-17-7-4-8-25-17)12-15-6-3-2-5-14(15)10-22-19(24)18-9-16(20)11-21-18/h2-8,16,18,21H,9-13H2,1H3,(H,22,24)/t16-,18+/m0/s1
InChIKeyRUHLULNUBGJBEG-FUHWJXTLSA-N
XLogP2.23
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

3-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003490
1-cyclohexyl-3-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylguanidine
CID 111770748
1-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111774052
1-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111773549
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107435917
1-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 111771006
1-[3-(cyclopropylmethoxy)propyl]-3-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111776381
N-(furan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44667925
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119861656
2-[[N-ethyl-N'-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111775781
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-[[2-(diethylaminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60717846

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 99826742) is (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide is CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RUHLULNUBGJBEG-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-23(13-17-7-4-8-25-17)12-15-6-3-2-5-14(15)10-22-19(24)18-9-16(20)11-21-18/h2-8,16,18,21H,9-13H2,1H3,(H,22,24)/t16-,18+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
(2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 99826742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).